The density dependence of time correlation functions for the solvation energy in a simple
Lennard-Jones liquid has been investigated by molecular dynamics computer simulations …

The nonpolar solvation dynamics in Lennard− Jones fluids is discussed in terms of the
relationship with the dynamic structure factor of neat solvent, using the theoretical …

The time-dependent energy distribution of solvation dynamics is studied by molecular
dynamics simulations of a Lennard-Jones mixture. We calculate the response functions of …

We have performed molecular dynamics (MD) simulations of the nonpolar solvation
dynamics in simple fluids composed of particles interacting through the Lennard-Jones (LJ) …

The validity of the linear response theory in solvation dynamics has been investigated by
molecular dynamics simulations for a monoatomic solute dissolved in liquid argon. The …

Solvation dynamics in liquid water is addressed via nonequilibrium energy-transfer
pathways activated after a neutral atomic solute acquires a unit charge, either positive or …

A microscopic statistical mechanical theory of solvation dynamics is presented. The theory is
capable of reproducing the characteristic multiphasic behavior of the solvation correlation …

Dynamics of charge (or charge distribution) solvation is a subject of considerable interest. 1
Recent molecular dynamics (MD) computer simulation studies reveal that solvent relaxation …

We explore a recently developed theory of solvation dynamics that analyzes the molecular
response of the solvent to a sudden change of the charge distribution of a solute particle …

Much attention has been focused on the solvation and density fluctuations in water over the
past decade. These studies have brought to light interesting physical features of solvation in …